(1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium]

C15H21N3+2 — CID 6923539

IUPAC(1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium]
SMILESC[NH+]1CCC[C@]12[NH2+]CCc1c2[nH]c2ccccc12
InChIInChI=1S/C15H19N3/c1-18-10-4-8-15(18)14-12(7-9-16-15)11-5-2-3-6-13(11)17-14/h2-3,5-6,16-17H,4,7-10H2,1H3/p+2/t15-/m0/s1
InChIKeyFOMGWKRLXRPOLU-HNNXBMFYSA-P
MW243.35 g/mol
LogP-0.25
Rot. Bonds

About (1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium]

(1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium] (PubChem CID 6923539) has the molecular formula C15H21N3+2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium].

Molecular Properties

Compound Name(1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium]
PubChem CID6923539
Molecular FormulaC15H21N3+2
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium]
SMILESC[NH+]1CCC[C@]12[NH2+]CCc1c2[nH]c2ccccc12
InChIInChI=1S/C15H19N3/c1-18-10-4-8-15(18)14-12(7-9-16-15)11-5-2-3-6-13(11)17-14/h2-3,5-6,16-17H,4,7-10H2,1H3/p+2/t15-/m0/s1
InChIKeyFOMGWKRLXRPOLU-HNNXBMFYSA-P
XLogP-0.25
TPSA36.84 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Analyze (1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-carboxylate
CID 4247395
1,1-difluoro-2,3,4,9-tetrahydrocarbazole
CID 68954030
3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole
CID 45098939
(1R)-1-iodo-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71178701
2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-thiane]
CID 10468482
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 10083666
4-(4-fluorophenyl)-2-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione
CID 3530714
(3R)-5-bromospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium]-2-one
CID 7372065
spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine];hydrochloride
CID 154919784
(2S,5S)-2-methyl-5-propyl-18-aza-7-azoniatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),12,14,16-tetraene
CID 1403321
2-acetylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,2'-cyclohexane]-1'-one
CID 12863267
4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)benzoic acid
CID 3801996

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium]?
The IUPAC name of (1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium] (CID 6923539) is (1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium].
What is the SMILES notation for (1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium]?
The canonical SMILES for (1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium] is C[NH+]1CCC[C@]12[NH2+]CCc1c2[nH]c2ccccc12.
What is the InChIKey of (1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium]?
The InChIKey is FOMGWKRLXRPOLU-HNNXBMFYSA-P. The full InChI is InChI=1S/C15H19N3/c1-18-10-4-8-15(18)14-12(7-9-16-15)11-5-2-3-6-13(11)17-14/h2-3,5-6,16-17H,4,7-10H2,1H3/p+2/t15-/m0/s1.
What are the key properties of (1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium]?
(1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium] has a molecular weight of 243.35 g/mol, XLogP of -0.25, 0 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,2'-pyrrolidin-1-ium] is sourced from PubChem (CID 6923539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).